5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

C18H23N5O3 — CID 42098299

IUPAC5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)no1
InChIInChI=1S/C18H23N5O3/c1-11-8-15(22-26-11)17(24)19-9-12-4-3-7-23(10-12)18(25)16-13-5-2-6-14(13)20-21-16/h8,12H,2-7,9-10H2,1H3,(H,19,24)(H,20,21)/t12-/m0/s1
InChIKeyBBGWATCNJRLHTP-LBPRGKRZSA-N
MW357.41 g/mol
LogP1.48
Rot. Bonds4

About 5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 42098299) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID42098299
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)no1
InChIInChI=1S/C18H23N5O3/c1-11-8-15(22-26-11)17(24)19-9-12-4-3-7-23(10-12)18(25)16-13-5-2-6-14(13)20-21-16/h8,12H,2-7,9-10H2,1H3,(H,19,24)(H,20,21)/t12-/m0/s1
InChIKeyBBGWATCNJRLHTP-LBPRGKRZSA-N
XLogP1.48
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 97271451
N-[(5-methylfuran-2-yl)methyl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45211127
3,5-dimethoxy-N-[[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methyl]benzamide
CID 26393347
N-(cyclopropylmethyl)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-3-carboxamide
CID 138996028
5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 45172464
5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42377077
(3-aminopyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 112708550
[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 84583530
5-methyl-N-[[(3S)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42190921
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
CID 42515116
(3-hydroxypiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110889660
4-[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202812

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (CID 42098299) is 5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)no1.
What is the InChIKey of 5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BBGWATCNJRLHTP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-11-8-15(22-26-11)17(24)19-9-12-4-3-7-23(10-12)18(25)16-13-5-2-6-14(13)20-21-16/h8,12H,2-7,9-10H2,1H3,(H,19,24)(H,20,21)/t12-/m0/s1.
What are the key properties of 5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42098299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).